(Z)-2,5-dichlorodec-4-en-3-one

C10H16Cl2O — CID 135086504

IUPAC(Z)-2,5-dichlorodec-4-en-3-one
SMILESCCCCC/C(Cl)=C/C(=O)C(C)Cl
InChIInChI=1S/C10H16Cl2O/c1-3-4-5-6-9(12)7-10(13)8(2)11/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeySYLKCVLYEWKGPI-CLFYSBASSA-N
MW223.14 g/mol
LogP3.89
Rot. Bonds6

About (Z)-2,5-dichlorodec-4-en-3-one

(Z)-2,5-dichlorodec-4-en-3-one (PubChem CID 135086504) has the molecular formula C10H16Cl2O and a molecular weight of 223.14 g/mol. Its IUPAC name is (Z)-2,5-dichlorodec-4-en-3-one.

Molecular Properties

Compound Name(Z)-2,5-dichlorodec-4-en-3-one
PubChem CID135086504
Molecular FormulaC10H16Cl2O
Molecular Weight223.14 g/mol
Exact Mass222.06
IUPAC Name(Z)-2,5-dichlorodec-4-en-3-one
SMILESCCCCC/C(Cl)=C/C(=O)C(C)Cl
InChIInChI=1S/C10H16Cl2O/c1-3-4-5-6-9(12)7-10(13)8(2)11/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeySYLKCVLYEWKGPI-CLFYSBASSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dichlorodec-4-en-3-one?
The IUPAC name of (Z)-2,5-dichlorodec-4-en-3-one (CID 135086504) is (Z)-2,5-dichlorodec-4-en-3-one.
What is the SMILES notation for (Z)-2,5-dichlorodec-4-en-3-one?
The canonical SMILES for (Z)-2,5-dichlorodec-4-en-3-one is CCCCC/C(Cl)=C/C(=O)C(C)Cl.
What is the InChIKey of (Z)-2,5-dichlorodec-4-en-3-one?
The InChIKey is SYLKCVLYEWKGPI-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16Cl2O/c1-3-4-5-6-9(12)7-10(13)8(2)11/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of (Z)-2,5-dichlorodec-4-en-3-one?
(Z)-2,5-dichlorodec-4-en-3-one has a molecular weight of 223.14 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dichlorodec-4-en-3-one is sourced from PubChem (CID 135086504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).